2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 313981-60-1
• Molecular Formula: C15H14FNO2S
• Molecular Weight: 291.3
• DSSTox Substance ID: DTXSID201327089
• ChEMBL ID: CHEMBL1430417
• Mol file: 313981-60-1.mol

Synonyms:2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline;313981-60-1;2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline;2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline;2-((4-Fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline;ChemDiv3_006063;Cambridge id 5351423;Oprea1_043712;Oprea1_809598;MLS001209417;CHEMBL1430417;DTXSID201327089;HMS1490D13;HMS2844J19;2-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline;CCG-25030;STK007380;AKOS000390138;BS-5261;IDI1_023973;SMR000514402;CS-0314120;AB00082265-01;AK-968/11164966;BRD-K29396522-001-01-1

Chemical Property of 2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• PKA: -6.07±0.20(Predicted)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 291.07292802
• Heavy Atom Count: 20
• Complexity: 426

Purity/Quality:

2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F